SCHEMBL28565006

SCHEMBL28565006

Cc1ccc(C(=O)NC2CCCN2)cc1.[LiH]

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CYP1A2 P05177 1/20 0.56
HPGD P15428 1/20 0.56
CYP2C19 P33261 1/20 0.56
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
OPRK1 P41145 1/20 0.43
SSTR3 P32745 1/20 0.42
USP2 O75604 1/20 0.42
CYP2D6 P10635 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28564491 0.95 RAB9A (0.59) RAB9ANPC1SMN1; SMN2CYP1A2HPGD
SCHEMBL25143774 0.83 DDB1 (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL20810429 0.77 RAB9A (0.42) RAB9ANPC1SMN1; SMN2CYP1A2HPGD
SCHEMBL16015162 0.75 RAB9A (0.52) RAB9ANPC1SMN1; SMN2CYP1A2HPGD
SCHEMBL13964104 0.75 RAB9A (0.52) RAB9ANPC1SMN1; SMN2CYP1A2HPGD
SCHEMBL28567027 0.75 RAB9A (0.69) RAB9ANPC1SMN1; SMN2CYP1A2HPGD
SCHEMBL3320567 0.75 RAB9A (0.68) RAB9ANPC1SMN1; SMN2CYP1A2HPGD
SCHEMBL17888469 0.75 RAB9A (0.68) RAB9ANPC1SMN1; SMN2CYP1A2HPGD
SCHEMBL10523974 0.75 NPC1 (0.60) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL12460021 0.74 RAB9A (0.96) RAB9ANPC1SMN1; SMN2CYP1A2HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107250172-B Modified conjugated diene polymer, method for producing same, and modified conjugated diene polymer composition 旭化成株式会社 2021-04-09 CN disclosed